2-(Phenylmethylene)heptyl butyrate

Base Information

• Chemical Name: 2-(Phenylmethylene)heptyl butyrate
• CAS No.: 71648-38-9
• Molecular Formula: C18H26 O2
• Molecular Weight: 274.39784
• European Community (EC) Number: 275-768-5
• Nikkaji Number: J298.995F
• Mol file: 71648-38-9.mol

Synonyms:2-(Phenylmethylene)heptyl butyrate;71648-38-9;EINECS 275-768-5;Butanoic acid 2-(phenylmethylene)heptyl ester

Chemical Property of 2-(Phenylmethylene)heptyl butyrate

Chemical Property:

• Vapor Pressure: 4.36E-06mmHg at 25°C
• Boiling Point: 383.6°C at 760 mmHg
• Flash Point: 127°C
• Density: 0.972g/cm³
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 10
• Exact Mass: 274.193280068
• Heavy Atom Count: 20
• Complexity: 288

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CCCCCC(=CC1=CC=CC=C1)COC(=O)CCC
• Isomeric SMILES: CCCCC/C(=C\C1=CC=CC=C1)/COC(=O)CCC

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